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Information card for entry 4506971
Preview
Coordinates | 4506971.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Hexagram-Type Topology Lamivudine Duplex |
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Chemical name | lamivudine 0.67-hydrate |
Formula | C24 H37 N9 O11 S3 |
Calculated formula | C24 H37 N9 O11 S3 |
Title of publication | Base-Paired and Base-Stacked Structures of the Anti-HIV Drug Lamivudine: A Nucleoside DNA-Mimicry with Unprecedented Topology |
Authors of publication | Ellena, Javier; Bocelli, Marcio D.; Honorato, Sara B.; Ayala, Alejandro P.; Doriguetto, Antônio C.; Martins, Felipe T. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 10 |
Pages of publication | 5138 |
a | 14.55 ± 0.001 Å |
b | 14.55 ± 0.001 Å |
c | 29.538 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5415.5 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 172 |
Hermann-Mauguin space group symbol | P 64 |
Hall space group symbol | P 64 |
Residual factor for all reflections | 0.1574 |
Residual factor for significantly intense reflections | 0.0939 |
Weighted residual factors for significantly intense reflections | 0.2395 |
Weighted residual factors for all reflections included in the refinement | 0.2677 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4506971.html
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